2-{4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl}-5-[(3-fluorobenzene-1-sulfonyl)amino]benzoic acid
Chemical Structure Depiction of
2-{4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl}-5-[(3-fluorobenzene-1-sulfonyl)amino]benzoic acid
2-{4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl}-5-[(3-fluorobenzene-1-sulfonyl)amino]benzoic acid
Compound characteristics
| Compound ID: | F290-0708 |
| Compound Name: | 2-{4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl}-5-[(3-fluorobenzene-1-sulfonyl)amino]benzoic acid |
| Molecular Weight: | 492.57 |
| Molecular Formula: | C23 H29 F N4 O5 S |
| Smiles: | CC(C)(C)NC(CN1CCN(CC1)c1ccc(cc1C(O)=O)NS(c1cccc(c1)F)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5477 |
| logD: | 1.432 |
| logSw: | -3.809 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 99.555 |
| InChI Key: | WHSWTMFHGWQBOP-UHFFFAOYSA-N |